2-[2,6-bis(4-bromophenyl)-4-phenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate

Systemtic Name: 2-[2,6-bis(4-bromophenyl)-4-phenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Openeye Name: 2-[2,6-bis(4-bromophenyl)-4-phenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate CAS Name: 2-[2,6-bis(4-bromophenyl)-4-phenylphenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate IUPAC Name: 2-[2,6-bis(4-bromophenyl)-4-phenylphenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Traditional Name: 2-[2,6-bis(4-bromophenyl)-4-phenyl-phenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Formula: C32H22Br2ClNO4S MolecularWeight: 711.84738

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C3=C(C=C(C=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5)C6=CC=C(C=C6)Br.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C3=C(C=C(C=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5)C6=CC=C(C=C6)Br.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C32H22Br2NS.ClHO4/c1-35-29-9-5-6-10-30(29)36-32(35)31-27(22-11-15-25(33)16-12-22)19-24(21-7-3-2-4-8-21)20-28(31)23-13-17-26(34)18-14-23;2-1(3,4)5/h2-20H,1H3;(H,2,3,4,5)/q+1;/p-1